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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	P2Y purinoceptor 2
Species	Homo sapiens (Human)
Gene	P2RY2
Synonym	Purinergic receptor purinergic receptor P2Y P2Y2 receptor P2Y2 P2Y purinoceptor 2 P2Y ATP receptor 2 P2U1 P2U receptor 1 P2U purinoceptor 1 ATP receptor [ Show all ]
Disease	Dry eye disease Constipation Cystic fibrosis Lung cancer
Length	377
Amino acid sequence	MAADLGPWNDTINGTWDGDELGYRCRFNEDFKYVLLPVSYGVVCVPGLCLNAVALYIFLCRLKTWNASTTYMFHLAVSDALYAASLPLLVYYYARGDHWPFSTVLCKLVRFLFYTNLYCSILFLTCISVHRCLGVLRPLRSLRWGRARYARRVAGAVWVLVLACQAPVLYFVTTSARGGRVTCHDTSAPELFSRFVAYSSVMLGLLFAVPFAVILVCYVLMARRLLKPAYGTSGGLPRAKRKSVRTIAVVLAVFALCFLPFHVTRTLYYSFRSLDLSCHTLNAINMAYKVTRPLASANSCLDPVLYFLAGQRLVRFARDAKPPTGPSPATPARRRLGLRRSDRTDMQRIEDVLGSSEDSRRTESTPAGSENTKDIRL
UniProt	P41231
Protein Data Bank	N/A
GPCR-HGmod model	P41231
3D structure model	This predicted structure model is from GPCR-EXP P41231.
BioLiP	N/A
Therapeutic Target Database	T93515
ChEMBL	CHEMBL4398
IUPHAR	324
DrugBank	BE0002401

Ligand

Name	CHEMBL604277
Molecular formula	C26H28N2O4S2
IUPAC name	4-methyl-N-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]phenyl]-N-prop-2-enylbenzenesulfonamide
Molecular weight	496.64
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	5.4
Synonyms	MCULE-3639320640 AC1MQKQY SBB057090 [(4-methylphenyl)sulfonyl](2-{[(4-methylphenyl)sulfonyl]prop-2-enylamino}pheny l)prop-2-enylamine 4-methyl-N-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]phenyl]-N-prop-2-enylbenzenesulfonamide N,N''-(1,2-phenylene)bis(N-allyl-4-methylbenzenesulfonamide) AKOS024364667 ST50997002 N,N'-Diallyl-N,N'-ditosyl-1,2-benzenediamine ZINC2573080 BDBM50305737 [ Show all ]
Inchi Key	WLHVFPKZYDQKGS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H28N2O4S2/c1-5-19-27(33(29,30)23-15-11-21(3)12-16-23)25-9-7-8-10-26(25)28(20-6-2)34(31,32)24-17-13-22(4)14-18-24/h5-18H,1-2,19-20H2,3-4H3
PubChem CID	3453336
ChEMBL	CHEMBL604277
IUPHAR	N/A
BindingDB	50305737
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<60000.0 nM	PMID20004096	BindingDB,ChEMBL

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